UCSF

ZINC05923459

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 9 Yes

Popular Name: (+)-(1S,2R)-allocoronamic acid (+)-(1S,2R)-allocoronamic acid

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CAS Numbers: 65878-52-6 , 87480-58-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.52 -1.88 -43.32 3 3 0 67 129.159 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000009543A2 IBM Patent Data

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